Article (Scientific journals)
Proper Ferroelectricity in the Dion−Jacobson Material CsBi2Ti2NbO10: Experiment and Theory
McCabe, E. E.; Bousquet, Eric; Stockdale, C. P. J. et al.
2015In Chemistry of Materials, 27, p. 8298
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Abstract :
[en] A diverse range of materials and properties are exhibited by layered perovskites. We report on the synthesis, characterization, and computational investigation of a new ferroelectric --CsBi2Ti2NbO10-- an n = 3 member of the Dion−Jacobson (DJ) family. Structural studies using variable temperature neutron powder diffraction indicate that a combination of octahedral rotations and polar displacements result in the polar structure. Density functional theory calculations reveal that the wider perovskite blocks in CsBi2Ti2NbO0 stabilize proper ferroelectricity, in contrast to the hybrid-improper ferroelectricity reported for all other DJ phases. Our results raise the possibility of a new class of proper ferroelectric materials analogous to the well-known Aurivillius phases.
Research center :
PhyTheMa
Disciplines :
Physics
Author, co-author :
McCabe, E. E.
Bousquet, Eric  ;  Université de Liège > Département de physique > Physique théorique des matériaux
Stockdale, C. P. J.
Deacon, C. A.
Tran, T. T.
Halasyamani, P. S.
Stennett, M. C.
Hyatt, N. C.
Language :
English
Title :
Proper Ferroelectricity in the Dion−Jacobson Material CsBi2Ti2NbO10: Experiment and Theory
Publication date :
2015
Journal title :
Chemistry of Materials
ISSN :
0897-4756
eISSN :
1520-5002
Publisher :
American Chemical Society, Washington, United States - District of Columbia
Volume :
27
Pages :
8298
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
Tier-1 supercomputer
CÉCI : Consortium des Équipements de Calcul Intensif
Funding number :
CECI Grants No. 2.5020.11 and No. 1175545 Tier-1
Available on ORBi :
since 11 January 2016

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